(2-aminocarbonyl-5-methyl-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-aminocarbonyl-5-methyl-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2-carbamoyl-5-methyl-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-carbamoyl-5-methylphenyl) ester IUPAC Name: (2-carbamoyl-5-methylphenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-carbamoyl-5-methyl-phenyl) ester Formula: C16H11F6NO4S MolecularWeight: 427.318259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO4S/c1-8-2-3-12(14(23)24)13(4-8)27-28(25,26)11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,1H3,(H2,23,24)